CAS RN: 698-51-1
3,5-DICHLORO-2,6-DIFLUOROPYRIDINE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS698-51-1
- Purity/Analytical Methods: >99.0%
698-51-1 / 3,5-dichloro-2,6-difluoropyridine
Basic Information
CAS
698-51-1
Multi CAS
No
Molecular Formula
C5HCL2F2N
Molecular Weight
183.970000
Exact Mass
182.945411
InChI
InChI=1S/C5HCl2F2N/c6-2-1-3(7)5(9)10-4(2)8/h1H
InChIKey
AYTUSKIZXVPKBR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
34.17
TPSA
12.89
LogP / Solubility
WLOGP
2.67
MLOGP
2.34
XLogP3
3
Consensus LogP
2.67
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Purity/Analytical method: >99.0%
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